SCHEMBL3064230

SCHEMBL3064230

N=C(OO)SC(=NC1CC2CCC1C2)NC1CC2CCC1C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.55
GRIN2D O15399 2/20 0.55
GRIN3B O60391 2/20 0.55
GRIN1 Q05586 2/20 0.55
GRIN2A Q12879 2/20 0.55
GRIN2B Q13224 2/20 0.55
GRIN2C Q14957 2/20 0.55
GRIN3A Q8TCU5 2/20 0.55
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
EPHX2 P34913 3/20 0.36
MAPT P10636 3/20 0.35
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3079677 0.81 EPHX2 (0.43) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720957 0.71 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3068525 0.71 SIGMAR1 (0.66) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9317629 0.71 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6154900 0.69 SIGMAR1 (0.67) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720956 0.68 EPHX2 (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3067092 0.67 EPHX2 (0.51) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3076553 0.67 SIGMAR1 (0.62) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3058574 0.67 SIGMAR1 (0.62) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17710548 0.66 SIGMAR1 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20070149673-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE STURGILL JEFFREY A 2007-06-28 US disclosed
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed